Structure Database (LMSD)

Common Name
6,8-Diethyl-4-methyl-3E,5E,7E,9E-dodecatetraene
Systematic Name
6,8-Diethyl-4-methyl-3E,5E,7E,9E-dodecatetraene
Synonyms
LM ID
LMFA11000058
Formula
C17H28
Exact Mass
Calculate m/z
232.2191
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Carpophilus antiquus (#913113)
Insecta (#50557)
Aggregation pheromone ofCarpophilus antiquus (Coleoptera: Nitidulidae) and kairomonal use ofC. lugubris pheromone byC. antiquus.,
J Chem Ecol, 1993
Pubmed ID: 24248570

String Representations

InChiKey (Click to copy)
YHCDUBINXCMNBC-AZJPFMHZSA-N
InChi (Click to copy)
InChI=1S/C17H28/c1-6-10-12-16(8-3)14-17(9-4)13-15(5)11-7-2/h10-14H,6-9H2,1-5H3/b12-10+,15-11+,16-14+,17-13+
SMILES (Click to copy)
CC/C=C(\C)/C=C(\CC)/C=C(\CC)/C=C/CC

Other Databases

PubChem CID
56936068

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 292.10
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.98
Molar Refractivity 80.23

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Created at
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Updated at
17th Apr 2025